5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide

C14H14BrN3O3S — CID 126938917

IUPAC5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H14BrN3O3S/c1-8-2-5-13(19)18(17-8)10-7-21-6-9(10)16-14(20)11-3-4-12(15)22-11/h2-5,9-10H,6-7H2,1H3,(H,16,20)
InChIKeyFQPUGTIRLLYOEP-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.75
Rot. Bonds3

About 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide

5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide (PubChem CID 126938917) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
PubChem CID126938917
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H14BrN3O3S/c1-8-2-5-13(19)18(17-8)10-7-21-6-9(10)16-14(20)11-3-4-12(15)22-11/h2-5,9-10H,6-7H2,1H3,(H,16,20)
InChIKeyFQPUGTIRLLYOEP-UHFFFAOYSA-N
XLogP1.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]furan-2-carboxamide
CID 126938757
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126938763
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
CID 126938783
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126938792
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-indole-4-carboxamide
CID 126938795
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126938910
4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222915
6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 126938812
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide
CID 126938858
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938880
2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide (CID 126938917) is 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide is Cc1ccc(=O)n(C2COCC2NC(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is FQPUGTIRLLYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-8-2-5-13(19)18(17-8)10-7-21-6-9(10)16-14(20)11-3-4-12(15)22-11/h2-5,9-10H,6-7H2,1H3,(H,16,20).
What are the key properties of 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 126938917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).